SCHEMBL30977413

SCHEMBL30977413

O=[N+]([O-])c1cc(Br)c(OCC(F)F)nc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
MYC P01106 2/20 0.32
MAX P61244 2/20 0.32
MBOAT4 Q96T53 2/20 0.31
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
CTSB P07858 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP1A2 P05177 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23620106 0.86 TDP1 (0.37) TDP1MAPTHTTGAAL3MBTL1
SCHEMBL17045591 0.78 ALDH1A1 (0.40) CYP19A1TDP1MAPTHTTGAA
SCHEMBL30977446 0.75 MBOAT4 (0.39) MBOAT4
SCHEMBL30977593 0.73 TDP1 (0.42) CYP19A1TDP1MAPTHTTGAA
SCHEMBL31304135 0.72 L3MBTL1 (0.41) MAPTGAAL3MBTL1MYCMAX
SCHEMBL19100632 0.72 HCRTR1 (0.35) GAAALDH1A1
SCHEMBL30271366 0.71 MERTK (0.51) TDP1MAPTHTTL3MBTL1MYC
SCHEMBL20610599 0.71 ALDH1A1 (0.50) TDP1MAPTHTTGAAL3MBTL1
SCHEMBL20516243 0.70 NPC1 (0.32) MAPTMYCMAXALDH1A1CYP3A4
SCHEMBL19100704 0.70 MYC (0.32) MYCMAX

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
CN-119613397-A N-heteroaromatic ring-3-sulfonamide compounds and use thereof for preparing GPR17 receptor inhibitors 迈巴制药(南京)有限公司 2025-03-14 CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed